⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL10789787 | 0.78 | GAA (0.37) | — | |
| SCHEMBL19206949 | 0.73 | — | — | |
| SCHEMBL717594 | 0.73 | GAA (0.42) | — | |
| SCHEMBL9133060 | 0.70 | CYP1A1 (0.53) | — | |
| SCHEMBL8746721 | 0.70 | CYP1A1 (0.53) | — | |
| SCHEMBL16372495 | 0.70 | GAA (0.37) | — | |
| SCHEMBL1259257 | 0.69 | — | — | |
| SCHEMBL2847494 | 0.69 | — | — | |
| SCHEMBL1335841 | 0.69 | — | — | |
| SCHEMBL1509175 | 0.69 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050154048-A1 | Novel acyl hydrazino thiophene derivatives, process for preparing them, their use as medicinal products, pharmaceutical compositions and novel use | AVENTIS PHARMA S.A. (FR) | 2005-07-14 | — | — | US | disclosed |